hydrogen sulfate; 1-[4-(4-nitrophenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium

Systemtic Name: hydrogen sulfate; 1-[4-(4-nitrophenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium Openeye Name: hydrogen sulfate; 1-[4-(4-nitrophenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium CAS Name: hydrogen sulfate; 1-[4-(4-nitrophenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium IUPAC Name: hydrogen sulfate; 1-[4-(4-nitrophenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium Traditional Name: 1-[4-(4-nitrophenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium bisulfate Formula: C14H16N2O6S3 MolecularWeight: 404.48164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2SC=C(S2)C3=CC=C(C=C3)[N+](=O)[O-])CC1.OS(=O)(=O)[O-]

Isomeric SMILES

C1CC[N+](=C2SC=C(S2)C3=CC=C(C=C3)[N+](=O)[O-])CC1.OS(=O)(=O)[O-]

InChI

InChI=1S/C14H15N2O2S2.H2O4S/c17-16(18)12-6-4-11(5-7-12)13-10-19-14(20-13)15-8-2-1-3-9-15;1-5(2,3)4/h4-7,10H,1-3,8-9H2;(H2,1,2,3,4)/q+1;/p-1